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Ligand · DJC

DJC · 3-[4-[5-fluoranyl-2-(trifluoromethyl) phenyl]phenyl]propanal

DJC, 3-[4-[5-fluoranyl-2-(trifluoromethyl) phenyl]phenyl]propanal (C16 H12 F4 O, 296.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
DJC
Formula
C16 H12 F4 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

DJC in 3 structures; the first of them:

  • 6KGQ · LSD1-FCPA-MPE five-membered ring adduct model · DJC A902 · binds MET332, THR335, PHE538, ALA539, GLU559, HIS564, LEU659, LYS661 and 3 more
  • 6KGQ · LSD1-fcpa-mpe five-membered ring adduct model · DJC A902 · binds MET332, THR335, PHE538, ALA539, GLU559, HIS564, LEU659, LYS661 and 3 more
  • 6KGR · LSD1-fcpa-mpe N5 adduct model · DJC A902 · binds THR335, PHE538, ALA539, GLU559, HIS564, LYS661, TYR761, ALA809 and 1 more

Residues it binds most

ALA 3, THR 3, GLU 3, HIS 3, LYS 3, PHE 3, TYR 3, LEU 2, MET 2 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • MPD · (4S)-2-methyl-2,4-pentanediol

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